SCHEMBL9475295

SCHEMBL9475295

CCNC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C#N)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.57
ALDH1A1 P00352 5/20 0.54
POLB P06746 3/20 0.54
OPRM1 P35372 2/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
OPRD1 P41143 1/20 0.54
KDM4E B2RXH2 9/20 0.51
HPGD P15428 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PRKD3 O94806 1/20 0.51
ALOX15 P16050 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
LMNA P02545 4/20 0.48
TOP1 P11387 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9380299 0.90 KCNH2 (0.60) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9475433 0.88 KCNH2 (0.59) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL10643509 0.87 ALDH1A1 (0.71) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9475565 0.84 KCNH2 (0.48) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9475379 0.84 POLB (0.45) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9473967 0.84 KDM4E (0.62) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9477423 0.83 ALDH1A1 (0.56) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9475669 0.82 KDM4E (0.60) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9474713 0.82 ALDH1A1 (0.55) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL9475648 0.82 KCNH2 (0.74) KCNH2ALDH1A1POLBOPRM1CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US claimed
US-5190955-A Bactericides, effective against antibiotic resistant germs BAYER AKTIENGESELLSCHAFT (DE) 1993-03-02 US disclosed
US-5051418-A Antibacterial 8-cyano-1-cyclopropyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4908366-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 US disclosed